(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(trifluoromethyl)benzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(trifluoromethyl)benzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H17F3N2O2S MolecularWeight: 454.46419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C24H17F3N2O2S/c1-16-21(32-18-12-6-3-7-13-18)22(29(28-16)17-10-4-2-5-11-17)31-23(30)19-14-8-9-15-20(19)24(25,26)27/h2-15H,1H3